2-Chloro-4,5-dimethylnitrobenzene - CAS 52753-43-2

Catalog:	BB027929
Product Name:	2-Chloro-4,5-dimethylnitrobenzene
CAS:	52753-43-2
Synonyms:	1-chloro-4,5-dimethyl-2-nitrobenzene; 1-chloro-4,5-dimethyl-2-nitrobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-chloro-4,5-dimethyl-2-nitrobenzene
Description:	2-Chloro-4,5-dimethylnitrobenzene (CAS# 52753-43-2) is a useful research chemical.
Molecular Weight:	185.61
Molecular Formula:	C8H8ClNO2
Canonical SMILES:	CC1=CC(=C(C=C1C)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C8H8ClNO2/c1-5-3-7(9)8(10(11)12)4-6(5)2/h3-4H,1-2H3
InChI Key:	ICLKPHVGBPBMKS-UHFFFAOYSA-N
MDL:	MFCD00182458
LogP:	3.38820

Publication Number	Title	Priority Date
CN-109748885-B	Ceritinib intermediate and preparation method of ceritinib	20171107
EP-2785709-B1	Aminopyrimidine derivatives as lrrk2 modulators	20111129
AU-2008240790-A1	Nicotinic acid derivatives as modulators of metabotropic glutamate receptor-5	20070419
CA-2682676-A1	Nicotinic acid derivatives as modulators of metabotropic glutamate receptor-5	20070419
CN-101679299-A	Nicotinic acid derivatives as modulators of metabotropic glutamate receptor-5	20070419

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Related Functional Groups

Nitrogen Compounds

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Complexity:	180
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.0243562
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	185.0243562
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1